N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide

C21H19ClN2O2 — CID 55889470

IUPACN-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O2/c1-16(26-20-8-3-2-4-9-20)21(25)24(15-18-7-5-6-14-23-18)19-12-10-17(22)11-13-19/h2-14,16H,15H2,1H3
InChIKeyWEKRGVGYYXTJHE-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.74
Rot. Bonds6

About N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide

N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 55889470) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide
PubChem CID55889470
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC NameN-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O2/c1-16(26-20-8-3-2-4-9-20)21(25)24(15-18-7-5-6-14-23-18)19-12-10-17(22)11-13-19/h2-14,16H,15H2,1H3
InChIKeyWEKRGVGYYXTJHE-UHFFFAOYSA-N
XLogP4.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 60535758
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 166407045
N-(2-hydroxyphenyl)-2-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 108732542
2-amino-N-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 68993512
(2S)-N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 96532793
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-phenylpropanamide
CID 18100568
2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
N-cyclopropyl-2-(4-phenylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 55607567
N-(4-chlorophenyl)-2-fluoro-4-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 55889212
2-[4-chloro-N-(pyridin-2-ylmethyl)anilino]acetic acid
CID 54925675

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide (CID 55889470) is N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide is CC(Oc1ccccc1)C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is WEKRGVGYYXTJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-16(26-20-8-3-2-4-9-20)21(25)24(15-18-7-5-6-14-23-18)19-12-10-17(22)11-13-19/h2-14,16H,15H2,1H3.
What are the key properties of N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 366.85 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 55889470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).